SCHEMBL3338768

SCHEMBL3338768

CCCCc1ccc(N(C)CC(=O)N2CCCN(c3ncccc3C#N)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
PANK3 Q9H999 1/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3338988 0.97 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL8170094 0.87 KDM4E (0.40) MEN1KMT2AKDM4EMAPT
SCHEMBL3334926 0.85 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL3333745 0.84 PANK3 (0.39) MEN1KMT2AKDM4EPANK3NOD2
SCHEMBL3334913 0.84 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL3333201 0.83 GRM1 (0.52) KDM4EALDH1A1TDP1NPC1HPGD
SCHEMBL3332826 0.83 GRM1 (0.52) KDM4EALDH1A1TDP1NPC1HPGD
SCHEMBL3332832 0.83 GRM1 (0.52) KDM4EALDH1A1TDP1NPC1HPGD
SCHEMBL3334388 0.83 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL3332163 0.83 KDM4E (0.57) MEN1KMT2AKDM4EALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US claimed
EP-2134687-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS AstraZeneca AB (SE) 2009-12-23 EP claimed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 WO claimed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 MEN1 3484/4885KMT2A 1931/4885KDM4E 3322/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.